SCHEMBL8972128

SCHEMBL8972128

CCCCCCCOc1ccc(-c2ccc(-c3ccc(OC(F)(F)C4COC(CCCCC)OC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.34
GRM2 Q14416 1/20 0.34
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
RARB P10826 1/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
PTPN11 Q06124 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
PDK2 Q15119 1/20 0.31
PLA2G2D Q9UNK4 1/20 0.31
FPR2 P25090 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8971988 0.90 PLA2G2D (0.32) S1PR1PTPN11PLA2G2DFPR2
SCHEMBL8972224 0.90 PLA2G2D (0.32) S1PR1PTPN11PLA2G2DFPR2
SCHEMBL8971880 0.89 S1PR1 (0.33) PPARDS1PR1S1PR3PTPN11THRA
SCHEMBL8970757 0.85 PTPN11 (0.34) PPARDS1PR1S1PR3RARBFFAR1
SCHEMBL8971848 0.84 GRM2 (0.35) PPARDGRM2S1PR1S1PR3FFAR1
SCHEMBL8971890 0.84 GRM2 (0.34) GRM2S1PR1S1PR3
SCHEMBL8971819 0.82 RARB (0.37) PPARDS1PR1S1PR3RARBPTPN11
SCHEMBL8953724 0.82 FPR2 (0.36) PPARDRARBPTPN11THRATHRB
SCHEMBL8953332 0.82 FPR2 (0.36) PPARDRARBPTPN11THRATHRB
SCHEMBL8953544 0.82 FPR2 (0.36) PPARDRARBPTPN11THRATHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed